#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cey n ASP 3 N 0.00 1.31 -1.16 0.00 8.00 -1.26 -4.85 116.55 118.60 1cey n ASP 3 Ca 0.00 1.02 0.04 0.00 0.71 0.00 0.00 54.79 56.56 1cey n ASP 3 Cb 0.00 -1.37 0.20 0.00 -0.02 0.00 0.00 41.12 39.94 1cey n ASP 3 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1cey n LYS 4 N 0.04 2.87 -2.70 -1.24 5.02 -1.26 -4.14 118.16 116.76 1cey n LYS 4 Ca 0.09 -1.58 -0.07 0.00 -2.02 0.00 0.00 58.31 54.74 1cey n LYS 4 Cb 0.40 -1.83 0.12 0.00 -0.02 0.00 0.00 35.03 33.70 1cey n LYS 4 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1cey n GLU 5 N 0.35 1.22 -2.49 1.97 4.07 -1.25 -3.12 120.64 121.39 1cey n GLU 5 Ca 0.14 -1.78 -0.43 0.00 -0.06 0.00 0.00 57.16 55.03 1cey n GLU 5 Cb 0.69 -0.01 -0.02 0.00 -0.06 0.00 0.00 31.44 32.03 1cey n GLU 5 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 1cey s LEU 6 N -3.30 3.77 -0.43 4.31 2.96 -1.26 -4.88 118.68 119.86 1cey s LEU 6 Ca 0.21 0.91 -0.31 0.00 -0.22 0.00 0.00 54.13 54.72 1cey s LEU 6 Cb 0.41 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 43.45 1cey s LEU 6 CO -0.09 -1.16 2.31 0.29 -1.32 0.00 0.00 176.35 176.38 1cey n LYS 7 N 7.52 1.13 -3.96 1.98 5.02 -1.26 -4.78 118.16 123.81 1cey n LYS 7 Ca 0.14 0.24 -0.28 0.00 -2.02 0.00 0.00 58.31 56.39 1cey n LYS 7 Cb 0.48 -2.76 -0.04 0.00 -0.02 0.00 0.00 35.03 32.69 1cey n LYS 7 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1cey s PHE 8 N 8.90 3.43 -0.09 2.13 0.08 -0.99 -1.70 117.98 129.75 1cey s PHE 8 Ca 1.08 0.14 -0.02 0.00 0.12 0.00 0.00 56.93 58.24 1cey s PHE 8 Cb -0.63 -1.67 0.04 0.00 -0.57 0.00 0.00 43.02 40.19 1cey s PHE 8 CO 0.41 0.54 0.04 -1.17 -0.10 0.00 0.00 175.22 174.93 1cey s LEU 9 N -2.95 0.46 -0.26 -0.37 2.96 -0.82 -2.32 118.68 115.37 1cey s LEU 9 Ca 0.34 -0.17 -0.08 0.00 -0.22 0.00 0.00 54.13 54.00 1cey s LEU 9 Cb -0.12 -0.32 -0.03 0.00 0.50 0.00 0.00 46.19 46.22 1cey s LEU 9 CO 0.27 -0.25 0.08 0.68 -1.32 0.00 0.00 176.35 175.82 1cey s VAL 10 N 2.05 4.33 -0.35 1.68 -7.23 -1.08 -0.78 120.40 119.02 1cey s VAL 10 Ca 0.04 -0.21 -0.11 0.00 -1.81 0.00 0.00 61.98 59.89 1cey s VAL 10 Cb -0.13 -3.05 0.01 0.00 0.56 0.00 0.00 36.38 33.77 1cey s VAL 10 CO -0.05 0.31 0.20 -0.69 -0.31 0.00 0.00 175.10 174.55 1cey s VAL 11 N 1.61 4.72 -0.24 1.32 1.01 -0.54 -2.11 120.40 126.16 1cey s VAL 11 Ca 0.06 -0.63 -0.22 0.00 0.00 0.00 0.00 61.98 61.19 1cey s VAL 11 Cb -0.15 -3.54 0.06 0.00 0.00 0.00 0.00 36.38 32.75 1cey s VAL 11 CO 0.04 -0.12 0.65 -0.62 0.00 0.00 0.00 175.10 175.04 1cey s ASP 12 N 1.60 -0.68 0.09 3.32 -1.08 -1.23 -3.82 116.67 114.87 1cey s ASP 12 Ca 0.04 1.30 0.28 0.00 -0.52 0.00 0.00 52.55 53.65 1cey s ASP 12 Cb -0.18 1.32 1.03 0.00 -1.46 0.00 0.00 42.92 43.63 1cey s ASP 12 CO 0.07 -0.22 1.85 0.47 0.52 0.00 0.00 175.17 177.86 1cey n ASP 13 N 2.79 0.38 -4.77 -0.34 8.00 -1.26 -4.65 116.55 116.69 1cey n ASP 13 Ca -0.14 0.52 -0.40 0.00 0.71 0.00 0.00 54.79 55.48 1cey n ASP 13 Cb 0.56 -0.62 -0.00 0.00 -0.02 0.00 0.00 41.12 41.04 1cey n ASP 13 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1cey s PHE 14 N -3.05 2.72 -0.44 1.24 0.08 -1.26 -4.88 117.98 112.39 1cey s PHE 14 Ca 0.12 1.32 -0.02 0.00 0.12 0.00 0.00 56.93 58.48 1cey s PHE 14 Cb 0.16 -3.81 0.27 0.00 -0.57 0.00 0.00 43.02 39.06 1cey s PHE 14 CO 0.56 -2.46 2.10 0.45 -0.10 0.00 0.00 175.22 175.77 1cey n SER 15 N 0.23 6.83 0.00 1.36 2.88 -1.26 -4.24 113.62 119.42 1cey n SER 15 Ca 0.03 -3.29 0.00 0.00 -1.33 0.00 0.00 58.87 54.28 1cey n SER 15 Cb 0.42 -1.05 0.00 0.00 -0.75 0.00 0.00 64.21 62.82 1cey n SER 15 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1cey n THR 16 N 0.04 0.00 0.18 2.46 5.66 -1.26 -4.91 114.28 116.44 1cey n THR 16 Ca 0.41 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 61.45 1cey n THR 16 Cb 0.59 0.00 0.22 0.00 -1.55 0.00 0.00 70.33 69.59 1cey n THR 16 CO 0.00 0.00 0.00 -0.03 -3.05 0.00 0.00 175.07 171.99 1cey h MET 17 N 0.00 0.00 0.10 1.09 -1.53 -1.97 0.38 114.93 113.00 1cey h MET 17 Ca 0.00 0.00 -0.26 0.00 -3.44 0.00 0.00 59.70 56.00 1cey h MET 17 Cb 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.04 1cey h MET 17 CO 0.00 0.00 -1.36 0.00 0.14 0.00 0.00 176.91 175.69 1cey h ARG 18 N 0.00 0.22 0.00 0.39 3.08 -1.91 -3.29 114.38 112.87 1cey h ARG 18 Ca 0.00 -0.37 0.00 0.00 0.07 0.00 0.00 59.98 59.68 1cey h ARG 18 Cb 1.00 0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.18 1cey h ARG 18 CO 0.00 1.18 0.00 -2.13 -1.07 0.00 0.00 179.97 177.95 1cey n ARG 19 N -3.98 0.13 -0.06 0.04 0.63 0.13 -1.81 116.66 111.74 1cey n ARG 19 Ca -0.25 0.47 -0.14 0.00 -0.92 0.00 0.00 57.85 57.01 1cey n ARG 19 Cb 0.87 -1.80 -0.13 0.00 0.45 0.00 0.00 32.46 31.85 1cey n ARG 19 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 1cey h ILE 20 N 0.00 1.74 -0.21 5.15 5.03 -1.55 -3.24 117.51 124.43 1cey h ILE 20 Ca 0.00 -2.27 -0.15 0.00 -0.12 0.00 0.00 64.86 62.32 1cey h ILE 20 Cb 0.19 3.28 -0.01 0.00 -3.03 0.00 0.00 36.82 37.25 1cey h ILE 20 CO 0.00 0.59 -0.48 -0.37 -0.68 0.00 0.00 178.15 177.21 1cey h VAL 21 N -0.90 1.31 -0.30 1.67 -1.51 -1.55 -1.74 116.25 113.23 1cey h VAL 21 Ca -0.01 -1.69 0.07 0.00 -1.23 0.00 0.00 66.70 63.84 1cey h VAL 21 Cb 1.02 1.67 -0.08 0.00 -2.13 0.00 0.00 31.29 31.77 1cey h VAL 21 CO 0.01 0.53 -0.24 0.03 -1.23 0.00 0.00 177.57 176.68 1cey h ARG 22 N 0.44 -0.21 0.46 5.19 3.08 -1.48 0.11 114.38 121.98 1cey h ARG 22 Ca 0.02 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 1cey h ARG 22 Cb 1.00 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.10 1cey h ARG 22 CO 0.09 -0.14 -0.22 -0.97 -1.07 0.00 0.00 179.97 177.66 1cey h ASN 23 N -0.21 -0.52 -0.94 7.04 -0.73 -1.57 -2.06 115.58 116.57 1cey h ASN 23 Ca 0.16 -0.09 0.21 0.00 1.87 0.00 0.00 56.30 58.45 1cey h ASN 23 Cb 0.46 0.14 -0.18 0.00 0.27 0.00 0.00 38.32 39.00 1cey h ASN 23 CO -0.43 -0.14 -0.15 0.25 -0.37 0.00 0.00 177.43 176.60 1cey h LEU 24 N -0.98 -0.73 0.08 0.34 5.85 -0.99 0.40 115.31 119.27 1cey h LEU 24 Ca -0.06 0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 1cey h LEU 24 Cb 0.58 0.54 0.00 0.00 0.37 0.00 0.00 40.66 42.15 1cey h LEU 24 CO 0.10 -0.31 -0.04 -0.07 -0.34 0.00 0.00 178.44 177.78 1cey h LEU 25 N 0.01 -0.09 -1.70 2.25 3.38 -0.77 -2.41 115.31 115.98 1cey h LEU 25 Ca 0.49 -0.25 0.34 0.00 0.09 0.00 0.00 57.88 58.55 1cey h LEU 25 Cb 0.84 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.54 1cey h LEU 25 CO -0.94 0.20 0.82 0.11 0.09 0.00 0.00 178.44 178.72 1cey h LYS 26 N -0.38 0.14 -1.02 1.13 1.57 0.40 0.44 116.57 118.85 1cey h LYS 26 Ca -0.01 -0.01 0.25 0.00 -1.87 0.00 0.00 60.65 59.01 1cey h LYS 26 Cb 0.33 -0.03 -0.12 0.00 0.08 0.00 0.00 32.23 32.49 1cey h LYS 26 CO 0.02 0.10 0.62 1.49 -0.57 0.00 0.00 179.45 181.10 1cey h GLU 27 N 0.15 0.51 0.02 3.15 4.81 -0.29 -2.83 114.58 120.10 1cey h GLU 27 Ca 0.63 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.82 1cey h GLU 27 Cb 2.11 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 31.38 1cey h GLU 27 CO -0.16 0.34 -0.01 1.25 -0.73 0.00 0.00 179.01 179.70 1cey h LEU 28 N 0.53 -0.03 0.00 1.64 6.46 -0.25 -3.48 115.31 120.18 1cey h LEU 28 Ca 0.63 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.39 1cey h LEU 28 Cb 1.32 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 41.25 1cey h LEU 28 CO -0.42 0.04 0.00 0.61 -0.62 0.00 0.00 178.44 178.04 1cey n GLY 29 N 1.44 0.00 3.85 3.75 0.00 -1.07 -5.10 105.19 108.07 1cey n GLY 29 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1cey n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cey s PHE 30 N 0.00 3.64 -0.40 1.61 0.08 -1.25 -3.90 117.98 117.76 1cey s PHE 30 Ca 0.00 0.71 0.09 0.00 0.12 0.00 0.00 56.93 57.85 1cey s PHE 30 Cb 0.00 -2.10 0.27 0.00 -0.57 0.00 0.00 43.02 40.62 1cey s PHE 30 CO 0.00 0.66 0.65 0.27 -0.10 0.00 0.00 175.22 176.71 1cey n ASN 31 N 2.04 -0.24 -2.85 1.36 2.04 -1.18 -3.79 115.26 112.64 1cey n ASN 31 Ca -0.17 -2.90 0.02 0.00 -0.44 0.00 0.00 54.58 51.09 1cey n ASN 31 Cb 0.54 -0.15 0.00 0.00 -2.53 0.00 0.00 39.78 37.64 1cey n ASN 31 CO 0.00 0.00 0.00 0.21 -0.44 0.00 0.00 177.26 177.03 1cey s ASN 32 N -1.54 -0.40 0.04 0.53 3.84 -1.26 -4.98 114.94 111.17 1cey s ASN 32 Ca 0.35 -0.16 0.00 0.00 0.21 0.00 0.00 52.86 53.26 1cey s ASN 32 Cb 0.23 0.63 -0.03 0.00 -0.55 0.00 0.00 41.25 41.52 1cey s ASN 32 CO -0.12 -0.05 -0.04 -0.69 -2.79 0.00 0.00 177.10 173.41 1cey s VAL 33 N 2.12 0.28 0.05 -5.21 1.01 -1.26 -2.33 120.40 115.05 1cey s VAL 33 Ca 0.17 -1.38 0.00 0.00 0.00 0.00 0.00 61.98 60.76 1cey s VAL 33 Cb 0.02 -0.94 -0.00 0.00 0.00 0.00 0.00 36.38 35.46 1cey s VAL 33 CO -0.16 -0.71 0.01 -1.84 0.00 0.00 0.00 175.10 172.40 1cey n GLU 34 N 0.84 1.33 -3.96 2.72 0.28 -0.98 -4.99 120.64 115.88 1cey n GLU 34 Ca -0.19 -0.38 -0.09 0.00 -0.16 0.00 0.00 57.16 56.35 1cey n GLU 34 Cb 0.58 0.16 -0.08 0.00 1.43 0.00 0.00 31.44 33.52 1cey n GLU 34 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1cey s GLU 35 N -2.18 0.85 0.02 3.44 8.01 -1.26 -2.65 118.70 124.92 1cey s GLU 35 Ca 0.01 -1.11 0.00 0.00 0.01 0.00 0.00 54.97 53.88 1cey s GLU 35 Cb 0.00 0.30 -0.00 0.00 -4.31 0.00 0.00 34.13 30.12 1cey s GLU 35 CO 0.01 -0.25 0.01 0.00 0.01 0.00 0.00 175.26 175.04 1cey n ALA 36 N -0.05 0.03 -0.72 5.21 0.00 -0.90 -4.92 120.51 119.17 1cey n ALA 36 Ca -0.12 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1cey n ALA 36 Cb 0.62 0.07 0.00 0.00 0.00 0.00 0.00 19.45 20.14 1cey n ALA 36 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1cey n GLU 37 N -0.03 -0.20 -3.21 0.00 1.02 -1.26 -3.57 120.64 113.38 1cey n GLU 37 Ca 0.00 -0.19 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 1cey n GLU 37 Cb 0.03 -0.64 0.00 0.00 -0.02 0.00 0.00 31.44 30.81 1cey n GLU 37 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1cey n ASP 38 N -0.01 0.00 0.18 1.62 8.00 -1.26 -4.63 116.55 120.45 1cey n ASP 38 Ca 0.00 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.36 1cey n ASP 38 Cb 0.20 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.22 1cey n ASP 38 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1cey h GLY 39 N 0.00 -0.47 0.97 0.44 0.00 -1.98 0.11 103.07 102.14 1cey h GLY 39 Ca 0.00 0.17 0.07 0.00 0.00 0.00 0.00 47.33 47.57 1cey h GLY 39 CO 0.00 -0.17 0.51 -0.39 0.00 0.00 0.00 176.54 176.49 1cey h VAL 40 N -0.65 1.02 -0.39 4.60 -1.51 -1.99 -0.52 116.25 116.81 1cey h VAL 40 Ca -0.05 -0.28 -0.02 0.00 -1.23 0.00 0.00 66.70 65.12 1cey h VAL 40 Cb 0.46 0.14 -0.02 0.00 -2.13 0.00 0.00 31.29 29.74 1cey h VAL 40 CO 0.08 0.15 0.14 -0.78 -1.23 0.00 0.00 177.57 175.93 1cey h ASP 41 N 0.81 0.54 0.12 4.19 1.82 -1.82 -2.27 116.42 119.81 1cey h ASP 41 Ca 0.34 -0.18 -0.00 0.00 -0.39 0.00 0.00 57.03 56.79 1cey h ASP 41 Cb 0.28 -0.14 -0.00 0.00 0.68 0.00 0.00 39.33 40.14 1cey h ASP 41 CO -0.12 0.58 -0.10 0.00 -1.61 0.00 0.00 179.24 177.98 1cey h ALA 42 N 0.99 -0.87 -1.43 -0.78 0.00 0.80 0.44 119.26 118.40 1cey h ALA 42 Ca 0.13 -0.04 0.42 0.00 0.00 0.00 0.00 54.91 55.41 1cey h ALA 42 Cb 0.21 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 1cey h ALA 42 CO -0.01 -0.87 1.16 1.25 0.00 0.00 0.00 179.25 180.78 1cey h LEU 43 N -0.22 0.00 0.00 0.00 7.12 -1.35 1.30 115.31 122.16 1cey h LEU 43 Ca -0.02 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 57.99 1cey h LEU 43 Cb 0.19 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.32 1cey h LEU 43 CO -0.00 0.00 -0.00 0.78 -0.13 0.00 0.00 178.44 179.09 1cey h ASN 44 N 0.00 -0.00 0.18 1.25 2.35 -0.63 -3.16 115.58 115.57 1cey h ASN 44 Ca 0.68 -0.94 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 1cey h ASN 44 Cb 2.99 0.00 0.00 0.00 0.05 0.00 0.00 38.32 41.36 1cey h ASN 44 CO -0.01 0.95 -0.19 0.29 -1.65 0.00 0.00 177.43 176.83 1cey n LYS 45 N -4.63 1.03 -0.01 0.81 5.02 0.20 -4.06 118.16 116.51 1cey n LYS 45 Ca -0.10 -0.59 -0.22 0.00 -2.02 0.00 0.00 58.31 55.39 1cey n LYS 45 Cb 0.45 -1.49 -0.14 0.00 -0.02 0.00 0.00 35.03 33.84 1cey n LYS 45 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1cey n LEU 46 N -0.48 2.54 0.00 -0.35 0.00 0.42 -3.69 117.00 115.46 1cey n LEU 46 Ca 0.14 0.24 0.02 0.00 0.00 0.00 0.00 56.01 56.41 1cey n LEU 46 Cb 0.34 -1.11 0.11 0.00 0.00 0.00 0.00 43.42 42.76 1cey n LEU 46 CO 0.23 0.79 0.33 1.67 0.00 0.00 0.00 177.39 180.41 1cey n GLN 47 N -3.60 0.12 -0.20 1.96 7.27 -1.19 -3.32 117.38 118.42 1cey n GLN 47 Ca -0.32 0.00 -0.12 0.00 0.07 0.00 0.00 57.00 56.63 1cey n GLN 47 Cb 1.01 -1.46 -0.09 0.00 2.41 0.00 0.00 30.24 32.10 1cey n GLN 47 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1cey h ALA 48 N 2.16 -0.70 0.00 1.69 0.00 -1.76 -3.37 119.26 117.29 1cey h ALA 48 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1cey h ALA 48 Cb 0.00 1.17 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1cey h ALA 48 CO 0.00 -0.99 -0.03 0.41 0.00 0.00 0.00 179.25 178.64 1cey n GLY 49 N -1.32 -0.93 0.72 0.00 0.00 -1.23 -5.09 105.19 97.34 1cey n GLY 49 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1cey n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cey n GLY 50 N 0.00 -1.32 3.68 -0.02 0.00 -1.21 -4.98 105.19 101.34 1cey n GLY 50 Ca 0.00 -0.60 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 1cey n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cey s TYR 51 N 0.00 3.42 -1.61 1.61 1.51 -1.26 -4.89 117.35 116.13 1cey s TYR 51 Ca 0.00 1.50 0.18 0.00 -1.01 0.00 0.00 57.07 57.74 1cey s TYR 51 Cb 0.00 -3.25 0.98 0.00 -0.11 0.00 0.00 41.96 39.58 1cey s TYR 51 CO 0.00 -0.47 1.53 0.41 -1.11 0.00 0.00 175.55 175.91 1cey n GLY 52 N 3.19 -0.78 3.62 0.71 0.00 -1.01 -4.75 105.19 106.16 1cey n GLY 52 Ca 0.10 -0.10 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1cey n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1cey s PHE 53 N -2.39 -0.46 0.10 1.61 2.19 -0.69 -4.54 117.98 113.80 1cey s PHE 53 Ca 0.21 1.05 0.02 0.00 0.33 0.00 0.00 56.93 58.54 1cey s PHE 53 Cb 0.12 0.38 -0.04 0.00 -1.31 0.00 0.00 43.02 42.18 1cey s PHE 53 CO 0.26 -0.27 -0.08 0.08 1.83 0.00 0.00 175.22 177.04 1cey s VAL 54 N -0.13 0.79 -0.07 3.12 1.01 -1.09 -1.95 120.40 122.08 1cey s VAL 54 Ca 0.01 -1.82 -0.03 0.00 0.00 0.00 0.00 61.98 60.14 1cey s VAL 54 Cb -0.04 -1.55 0.04 0.00 0.00 0.00 0.00 36.38 34.83 1cey s VAL 54 CO -0.04 -0.76 0.14 -0.63 0.00 0.00 0.00 175.10 173.82 1cey s ILE 55 N -3.17 -0.10 0.07 2.22 1.01 0.04 -0.67 121.20 120.60 1cey s ILE 55 Ca 0.09 0.23 -0.10 0.00 0.00 0.00 0.00 60.65 60.87 1cey s ILE 55 Cb 0.02 -0.25 0.01 0.00 0.01 0.00 0.00 42.46 42.25 1cey s ILE 55 CO -0.03 0.09 0.22 -0.94 0.00 0.00 0.00 174.94 174.28 1cey s SER 56 N 1.44 0.04 0.00 3.58 1.04 -1.26 -1.47 113.70 117.07 1cey s SER 56 Ca -0.06 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 55.90 1cey s SER 56 Cb -0.12 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.33 1cey s SER 56 CO -0.06 -0.66 0.00 -0.67 0.98 0.00 0.00 173.24 172.83 1cey n ASP 57 N 0.28 0.00 -3.17 7.02 -0.08 -1.25 -0.18 116.55 119.17 1cey n ASP 57 Ca -0.17 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.16 1cey n ASP 57 Cb 0.61 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 44.05 1cey n ASP 57 CO 0.00 0.00 0.00 0.86 0.12 0.00 0.00 177.20 178.18 1cey s TRP 58 N 0.00 -0.52 -1.24 -0.67 -0.11 -1.25 -4.11 118.94 111.04 1cey s TRP 58 Ca 0.00 0.59 0.00 0.00 1.22 0.00 0.00 56.10 57.91 1cey s TRP 58 Cb 0.00 0.20 0.00 0.00 -1.50 0.00 0.00 33.47 32.17 1cey s TRP 58 CO 0.00 -0.28 0.00 -1.71 -4.62 0.00 0.00 176.95 170.34 1cey n ASN 59 N 5.40 -4.34 -0.12 5.86 2.85 -1.26 -4.90 115.26 118.75 1cey n ASN 59 Ca -0.07 0.08 -0.19 0.00 -0.11 0.00 0.00 54.58 54.29 1cey n ASN 59 Cb 0.54 -3.39 -0.11 0.00 1.24 0.00 0.00 39.78 38.06 1cey n ASN 59 CO 0.00 0.00 0.00 0.80 -2.11 0.00 0.00 177.26 175.95 1cey n MET 60 N -2.39 0.58 0.00 1.20 1.56 -1.26 -4.79 117.12 112.02 1cey n MET 60 Ca -0.16 0.16 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 1cey n MET 60 Cb 0.58 -1.46 0.00 0.00 2.15 0.00 0.00 33.22 34.49 1cey n MET 60 CO 0.00 0.00 0.00 -2.30 -0.73 0.00 0.00 175.97 172.94 1cey n PRO 61 N -3.38 0.00 0.00 2.12 -0.02 -1.26 -5.00 135.00 127.46 1cey n PRO 61 Ca -0.43 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.26 1cey n PRO 61 Cb 0.93 -1.07 0.00 0.00 -0.02 0.00 0.00 33.50 33.33 1cey n PRO 61 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1cey n ASN 62 N -1.14 0.00 0.00 2.55 6.94 -1.26 -5.06 115.26 117.29 1cey n ASN 62 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1cey n ASN 62 Cb 0.00 0.17 0.00 0.00 -2.36 0.00 0.00 39.78 37.59 1cey n ASN 62 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 1cey n MET 63 N -1.87 0.00 -3.64 -3.83 2.81 -1.26 -4.98 117.12 104.34 1cey n MET 63 Ca 0.00 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.82 1cey n MET 63 Cb 0.00 -0.22 -0.07 0.00 -0.71 0.00 0.00 33.22 32.22 1cey n MET 63 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1cey s ASP 64 N -1.30 -0.28 0.00 7.83 -1.08 -1.26 -4.66 116.67 115.92 1cey s ASP 64 Ca 0.00 0.54 0.00 0.00 -0.52 0.00 0.00 52.55 52.57 1cey s ASP 64 Cb 0.00 0.55 0.00 0.00 -1.46 0.00 0.00 42.92 42.01 1cey s ASP 64 CO 0.00 -0.10 0.39 0.61 0.52 0.00 0.00 175.17 176.59 1cey n GLY 65 N 1.92 0.23 0.06 2.66 0.00 -1.26 -3.25 105.19 105.55 1cey n GLY 65 Ca -0.11 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.85 1cey n GLY 65 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1cey h LEU 66 N 0.26 0.00 -2.74 0.99 5.85 -1.96 -2.82 115.31 114.89 1cey h LEU 66 Ca 0.00 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 58.41 1cey h LEU 66 Cb 0.16 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 1cey h LEU 66 CO 0.00 0.70 -0.00 -0.08 -0.34 0.00 0.00 178.44 178.72 1cey h GLU 67 N -1.00 0.00 0.72 1.25 4.57 -1.99 -1.83 114.58 116.31 1cey h GLU 67 Ca -0.01 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.13 1cey h GLU 67 Cb 0.37 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.97 1cey h GLU 67 CO -0.01 0.00 -0.35 1.25 -1.18 0.00 0.00 179.01 178.73 1cey h LEU 68 N 0.00 -0.82 -0.13 1.64 5.85 -1.67 -2.03 115.31 118.16 1cey h LEU 68 Ca -0.00 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.75 1cey h LEU 68 Cb 0.02 0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 1cey h LEU 68 CO 0.00 -0.47 -0.37 -0.07 -0.34 0.00 0.00 178.44 177.18 1cey h LEU 69 N -1.19 -1.20 -0.99 2.25 3.38 -1.08 -0.37 115.31 116.11 1cey h LEU 69 Ca -0.10 0.15 0.33 0.00 0.09 0.00 0.00 57.88 58.34 1cey h LEU 69 Cb 0.77 0.47 -0.18 0.00 0.09 0.00 0.00 40.66 41.81 1cey h LEU 69 CO 0.16 -0.32 0.22 0.50 0.09 0.00 0.00 178.44 179.09 1cey h LYS 70 N -0.38 0.01 -0.93 1.13 3.64 -1.46 1.64 116.57 120.22 1cey h LYS 70 Ca 0.03 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.44 1cey h LYS 70 Cb 0.46 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.22 1cey h LYS 70 CO -0.32 0.01 0.61 1.15 -2.27 0.00 0.00 179.45 178.63 1cey h THR 71 N 0.01 1.16 -0.85 1.00 2.02 -0.30 -1.25 112.91 114.70 1cey h THR 71 Ca 0.69 -0.40 0.03 0.00 0.77 0.00 0.00 66.41 67.50 1cey h THR 71 Cb 1.61 -0.12 -0.05 0.00 -1.74 0.00 0.00 68.15 67.85 1cey h THR 71 CO -0.86 0.21 0.55 0.40 0.37 0.00 0.00 175.52 176.19 1cey h ILE 72 N 1.17 1.15 -0.99 3.11 2.04 0.28 -0.75 117.51 123.52 1cey h ILE 72 Ca 0.37 -0.37 0.29 0.00 1.00 0.00 0.00 64.86 66.15 1cey h ILE 72 Cb 0.02 -0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.04 1cey h ILE 72 CO -0.11 0.20 0.71 -0.09 0.00 0.00 0.00 178.15 178.86 1cey h ARG 73 N 1.08 0.00 -0.67 2.37 2.43 -0.83 0.15 114.38 118.91 1cey h ARG 73 Ca 0.33 -0.00 0.19 0.00 -0.81 0.00 0.00 59.98 59.70 1cey h ARG 73 Cb -0.02 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 1cey h ARG 73 CO -0.10 0.00 0.85 0.00 -1.51 0.00 0.00 179.97 179.21 1cey h ALA 74 N 1.50 2.48 -3.00 2.80 0.00 -1.13 -3.16 119.26 118.75 1cey h ALA 74 Ca 0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1cey h ALA 74 Cb 1.89 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.73 1cey h ALA 74 CO -0.01 -1.19 0.00 -3.47 0.00 0.00 0.00 179.25 174.58 1cey n ASP 75 N -3.36 0.00 0.00 0.00 -0.08 0.52 -5.00 116.55 108.63 1cey n ASP 75 Ca 0.14 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.42 1cey n ASP 75 Cb 1.07 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.53 1cey n ASP 75 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1cey n GLY 76 N 0.00 2.98 0.00 0.27 0.00 -1.19 -4.96 105.19 102.29 1cey n GLY 76 Ca 0.00 -0.18 0.07 0.00 0.00 0.00 0.00 46.02 45.90 1cey n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cey n ALA 77 N -3.00 1.99 1.00 4.61 0.00 -1.26 -1.95 120.51 121.89 1cey n ALA 77 Ca 0.00 -0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.44 1cey n ALA 77 Cb 0.00 -1.21 0.26 0.00 0.00 0.00 0.00 19.45 18.49 1cey n ALA 77 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1cey n MET 78 N -1.01 1.81 0.00 0.00 2.81 -1.26 -5.00 117.12 114.47 1cey n MET 78 Ca 0.10 -1.24 0.00 0.00 -1.81 0.00 0.00 57.70 54.75 1cey n MET 78 Cb 0.05 -1.34 0.00 0.00 -0.71 0.00 0.00 33.22 31.22 1cey n MET 78 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1cey n SER 79 N 0.48 0.00 -0.49 7.83 2.88 -0.82 -2.12 113.62 121.38 1cey n SER 79 Ca 0.14 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.73 1cey n SER 79 Cb 0.32 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 63.92 1cey n SER 79 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1cey n ALA 80 N 8.13 2.26 -1.04 -1.46 0.00 -1.26 -4.10 120.51 123.04 1cey n ALA 80 Ca 0.00 -1.38 0.12 0.00 0.00 0.00 0.00 53.44 52.18 1cey n ALA 80 Cb 0.00 -0.37 -0.04 0.00 0.00 0.00 0.00 19.45 19.04 1cey n ALA 80 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1cey n LEU 81 N -0.00 -0.52 -4.75 0.00 4.32 -0.90 -4.69 117.00 110.46 1cey n LEU 81 Ca 0.11 1.17 -0.40 0.00 -0.02 0.00 0.00 56.01 56.87 1cey n LEU 81 Cb 0.47 -3.33 0.03 0.00 -1.62 0.00 0.00 43.42 38.97 1cey n LEU 81 CO 0.07 -2.15 1.01 -2.65 -1.22 0.00 0.00 177.39 172.45 1cey n PRO 82 N -3.24 2.00 -3.93 3.23 -0.02 -1.26 -4.83 135.00 126.94 1cey n PRO 82 Ca -0.01 0.72 -0.15 0.00 -2.02 0.00 0.00 63.50 62.04 1cey n PRO 82 Cb 0.61 -2.58 -0.15 0.00 -0.02 0.00 0.00 33.50 31.37 1cey n PRO 82 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1cey s VAL 83 N -1.23 0.13 -0.75 -1.45 1.01 -1.19 -2.66 120.40 114.25 1cey s VAL 83 Ca 0.65 0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.67 1cey s VAL 83 Cb -0.44 -0.16 0.27 0.00 0.00 0.00 0.00 36.38 36.04 1cey s VAL 83 CO 0.55 0.08 0.95 -0.11 0.00 0.00 0.00 175.10 176.56 1cey n LEU 84 N 3.49 4.49 -4.59 3.92 7.94 0.16 0.79 117.00 133.20 1cey n LEU 84 Ca -0.19 -5.39 -0.34 0.00 -1.11 0.00 0.00 56.01 48.98 1cey n LEU 84 Cb 0.56 -0.83 0.11 0.00 0.53 0.00 0.00 43.42 43.79 1cey n LEU 84 CO 0.24 1.97 0.46 1.15 -1.11 0.00 0.00 177.39 180.11 1cey n MET 85 N 0.94 0.13 -5.29 1.96 0.00 -0.01 -4.17 117.12 110.69 1cey n MET 85 Ca 0.29 0.11 -0.31 0.00 0.00 0.00 0.00 57.70 57.79 1cey n MET 85 Cb 0.39 -2.20 -0.16 0.00 0.00 0.00 0.00 33.22 31.24 1cey n MET 85 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1cey s VAL 86 N -2.12 2.04 0.36 3.17 1.01 0.75 -2.08 120.40 123.53 1cey s VAL 86 Ca 0.69 -1.09 0.00 0.00 0.00 0.00 0.00 61.98 61.58 1cey s VAL 86 Cb -0.29 -1.71 -0.00 0.00 0.00 0.00 0.00 36.38 34.38 1cey s VAL 86 CO 0.55 0.57 0.46 0.28 0.00 0.00 0.00 175.10 176.96 1cey s THR 87 N -0.43 0.00 0.00 3.92 -1.32 -1.08 -3.83 115.64 112.91 1cey s THR 87 Ca 0.04 -1.67 0.00 0.00 -1.21 0.00 0.00 61.69 58.86 1cey s THR 87 Cb -0.11 -2.66 0.00 0.00 -1.51 0.00 0.00 72.50 68.21 1cey s THR 87 CO 0.01 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.42 1cey n ALA 88 N -0.61 1.27 -2.96 11.08 0.00 -1.26 -1.27 120.51 126.75 1cey n ALA 88 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.17 1cey n ALA 88 Cb 0.61 0.07 -0.04 0.00 0.00 0.00 0.00 19.45 20.10 1cey n ALA 88 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1cey n GLU 89 N -1.01 3.44 -1.70 0.00 4.07 -1.26 -4.87 120.64 119.31 1cey n GLU 89 Ca 0.00 -4.82 -0.42 0.00 -0.06 0.00 0.00 57.16 51.86 1cey n GLU 89 Cb 0.15 -2.27 -0.03 0.00 -0.06 0.00 0.00 31.44 29.23 1cey n GLU 89 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1cey s ALA 90 N -3.46 2.65 0.00 4.31 0.00 -1.26 -4.88 121.76 119.12 1cey s ALA 90 Ca 0.47 0.57 0.00 0.00 0.00 0.00 0.00 51.96 53.00 1cey s ALA 90 Cb 0.25 -4.09 0.00 0.00 0.00 0.00 0.00 23.12 19.28 1cey s ALA 90 CO -0.12 -2.93 0.04 1.17 0.00 0.00 0.00 175.76 173.92 1cey n LYS 91 N 8.72 0.00 0.00 0.00 4.81 -1.26 -5.08 118.16 125.35 1cey n LYS 91 Ca 0.29 0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.74 1cey n LYS 91 Cb 0.46 -0.55 0.00 0.00 0.02 0.00 0.00 35.03 34.96 1cey n LYS 91 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1cey n LYS 92 N -0.55 0.00 -0.16 1.64 4.81 -1.26 -4.94 118.16 117.70 1cey n LYS 92 Ca 0.00 0.00 0.21 0.00 -0.87 0.00 0.00 58.31 57.65 1cey n LYS 92 Cb 0.00 0.00 0.60 0.00 0.02 0.00 0.00 35.03 35.65 1cey n LYS 92 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1cey h GLU 93 N 0.00 0.22 -0.33 1.64 5.08 -2.00 0.34 114.58 119.53 1cey h GLU 93 Ca 0.00 -0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.44 1cey h GLU 93 Cb 0.00 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1cey h GLU 93 CO 0.00 0.15 0.34 -0.97 -1.00 0.00 0.00 179.01 177.53 1cey h ASN 94 N 0.23 0.00 1.30 1.42 -1.24 -2.00 0.67 115.58 115.97 1cey h ASN 94 Ca 0.39 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.40 1cey h ASN 94 Cb 1.20 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.25 1cey h ASN 94 CO -0.09 0.00 -0.45 0.40 -1.29 0.00 0.00 177.43 176.00 1cey h ILE 95 N 0.00 0.00 0.00 2.57 2.04 -0.70 -3.24 117.51 118.18 1cey h ILE 95 Ca 0.16 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.27 1cey h ILE 95 Cb 0.84 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 38.41 1cey h ILE 95 CO -0.00 0.00 -0.10 0.40 0.00 0.00 0.00 178.15 178.44 1cey h ILE 96 N 0.00 0.00 -0.58 -0.67 2.04 0.34 -3.08 117.51 115.56 1cey h ILE 96 Ca 0.00 -0.71 0.10 0.00 1.00 0.00 0.00 64.86 65.26 1cey h ILE 96 Cb 0.87 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.84 1cey h ILE 96 CO 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 178.15 177.81 1cey h ALA 97 N -1.29 -0.06 -0.53 1.87 0.00 -1.58 0.20 119.26 117.87 1cey h ALA 97 Ca 0.00 0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.17 1cey h ALA 97 Cb 0.10 0.79 -0.11 0.00 0.00 0.00 0.00 17.79 18.58 1cey h ALA 97 CO 0.00 -0.69 -0.25 0.00 0.00 0.00 0.00 179.25 178.31 1cey h ALA 98 N 0.97 0.11 -0.98 0.00 0.00 -1.73 0.12 119.26 117.75 1cey h ALA 98 Ca 0.23 0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.42 1cey h ALA 98 Cb 0.55 0.61 -0.08 0.00 0.00 0.00 0.00 17.79 18.87 1cey h ALA 98 CO -0.68 -0.58 0.63 0.00 0.00 0.00 0.00 179.25 178.62 1cey h ALA 99 N 1.19 1.54 0.00 0.00 0.00 -0.56 0.17 119.26 121.60 1cey h ALA 99 Ca 0.24 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1cey h ALA 99 Cb 0.50 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1cey h ALA 99 CO -0.61 0.23 0.04 1.96 0.00 0.00 0.00 179.25 180.88 1cey h GLN 100 N 0.99 0.00 0.01 0.00 4.20 0.47 -1.89 115.11 118.88 1cey h GLN 100 Ca 0.48 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.82 1cey h GLN 100 Cb 0.45 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.17 1cey h GLN 100 CO -0.24 0.00 -2.31 0.00 -0.67 0.00 0.00 178.83 175.62 1cey n ALA 101 N -1.89 1.41 0.00 3.87 0.00 0.54 -4.97 120.51 119.47 1cey n ALA 101 Ca -0.02 -1.10 0.00 0.00 0.00 0.00 0.00 53.44 52.32 1cey n ALA 101 Cb 0.09 -0.28 0.00 0.00 0.00 0.00 0.00 19.45 19.26 1cey n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cey n GLY 102 N 1.95 0.26 0.05 0.00 0.00 -0.71 -4.39 105.19 102.35 1cey n GLY 102 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1cey n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cey n ALA 103 N 0.00 1.35 -0.24 4.61 0.00 -0.88 -3.19 120.51 122.15 1cey n ALA 103 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.64 1cey n ALA 103 Cb 0.00 -0.92 0.33 0.00 0.00 0.00 0.00 19.45 18.86 1cey n ALA 103 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1cey n SER 104 N -0.38 0.09 -4.69 0.00 7.64 -1.26 -3.89 113.62 111.13 1cey n SER 104 Ca 0.00 0.64 -0.36 0.00 1.01 0.00 0.00 58.87 60.15 1cey n SER 104 Cb 0.00 -0.31 -0.08 0.00 -1.01 0.00 0.00 64.21 62.80 1cey n SER 104 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1cey s GLY 105 N -3.57 2.05 -0.13 0.23 0.00 0.24 -4.97 107.32 101.17 1cey s GLY 105 Ca -0.03 -0.71 -0.04 0.00 0.00 0.00 0.00 44.72 43.94 1cey s GLY 105 CO 0.40 0.42 0.08 -0.47 0.00 0.00 0.00 173.10 173.52 1cey s TYR 106 N 0.84 0.20 -0.15 1.90 5.04 -1.25 -0.83 117.35 123.10 1cey s TYR 106 Ca 0.11 -0.15 0.00 0.00 -2.44 0.00 0.00 57.07 54.59 1cey s TYR 106 Cb -0.13 -0.64 -0.00 0.00 0.35 0.00 0.00 41.96 41.53 1cey s TYR 106 CO 0.03 -0.41 -0.15 0.54 -1.34 0.00 0.00 175.55 174.22 1cey s VAL 107 N 2.13 2.72 0.00 3.14 0.11 -0.88 -4.99 120.40 122.63 1cey s VAL 107 Ca 0.03 -0.76 0.00 0.00 -2.93 0.00 0.00 61.98 58.32 1cey s VAL 107 Cb -0.15 -2.15 0.00 0.00 -1.53 0.00 0.00 36.38 32.56 1cey s VAL 107 CO -0.07 0.52 0.00 0.52 -3.33 0.00 0.00 175.10 172.74 1cey n VAL 108 N 3.97 0.00 -3.51 2.04 0.31 -1.26 -2.63 118.33 117.25 1cey n VAL 108 Ca -0.19 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.03 1cey n VAL 108 Cb 0.52 -0.13 -0.03 0.00 -0.91 0.00 0.00 33.84 33.29 1cey n VAL 108 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1cey s LYS 109 N -1.39 0.90 0.86 5.55 -2.85 -0.40 -4.42 119.74 117.99 1cey s LYS 109 Ca 0.00 -0.14 -0.12 0.00 -1.00 0.00 0.00 55.97 54.71 1cey s LYS 109 Cb 0.00 0.42 0.11 0.00 -2.06 0.00 0.00 37.83 36.30 1cey s LYS 109 CO 0.00 -0.36 1.11 -1.25 0.10 0.00 0.00 175.35 174.95 1cey s PRO 110 N -2.47 1.58 0.10 1.78 0.05 -1.26 -4.75 135.00 130.03 1cey s PRO 110 Ca -0.00 0.55 -0.05 0.00 0.05 0.00 0.00 61.00 61.54 1cey s PRO 110 Cb -0.01 -1.87 -0.02 0.00 0.05 0.00 0.00 34.50 32.66 1cey s PRO 110 CO -0.04 -1.95 0.13 -0.59 0.05 0.00 0.00 177.00 174.60 1cey s PHE 111 N -3.15 0.42 0.44 0.56 -0.12 -1.26 -5.10 117.98 109.77 1cey s PHE 111 Ca 0.62 -0.86 0.08 0.00 -0.05 0.00 0.00 56.93 56.72 1cey s PHE 111 Cb -0.15 -0.22 0.01 0.00 -0.63 0.00 0.00 43.02 42.03 1cey s PHE 111 CO 0.54 -0.53 0.54 -0.08 -0.05 0.00 0.00 175.22 175.64 1cey s THR 112 N -3.93 2.76 0.54 -4.49 -1.32 -1.26 -4.91 115.64 103.03 1cey s THR 112 Ca 0.11 -1.11 0.28 0.00 -1.21 0.00 0.00 61.69 59.76 1cey s THR 112 Cb 0.06 -2.87 0.33 0.00 -1.51 0.00 0.00 72.50 68.50 1cey s THR 112 CO -0.06 0.00 2.19 0.00 -2.21 0.00 0.00 174.62 174.54 1cey h ALA 113 N 0.70 1.49 -0.34 11.08 0.00 -1.98 -1.37 119.26 128.83 1cey h ALA 113 Ca -0.39 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 1cey h ALA 113 Cb 1.28 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1cey h ALA 113 CO 0.48 0.05 0.02 0.00 0.00 0.00 0.00 179.25 179.80 1cey h ALA 114 N 1.96 0.45 0.38 0.00 0.00 -1.98 0.40 119.26 120.48 1cey h ALA 114 Ca -0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1cey h ALA 114 Cb 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1cey h ALA 114 CO 0.01 0.19 -0.18 1.79 0.00 0.00 0.00 179.25 181.06 1cey h THR 115 N 0.40 0.00 -1.08 0.00 1.35 -1.64 -1.60 112.91 110.34 1cey h THR 115 Ca 0.10 -0.17 0.29 0.00 -0.55 0.00 0.00 66.41 66.08 1cey h THR 115 Cb 0.42 0.00 -0.10 0.00 -1.73 0.00 0.00 68.15 66.74 1cey h THR 115 CO 0.01 0.00 0.69 0.25 -0.25 0.00 0.00 175.52 176.23 1cey h LEU 116 N -0.68 0.42 0.31 3.87 5.85 -1.44 -1.95 115.31 121.68 1cey h LEU 116 Ca -0.05 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1cey h LEU 116 Cb 0.39 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1cey h LEU 116 CO 0.09 0.04 -0.16 -0.33 -0.34 0.00 0.00 178.44 177.73 1cey h GLU 117 N 0.34 -0.42 -0.82 1.25 4.39 0.03 0.14 114.58 119.49 1cey h GLU 117 Ca 0.63 0.03 0.24 0.00 0.34 0.00 0.00 59.36 60.60 1cey h GLU 117 Cb 1.68 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 30.39 1cey h GLU 117 CO -0.33 -0.28 0.90 0.93 -1.16 0.00 0.00 179.01 179.07 1cey h GLU 118 N -0.44 0.00 0.10 2.33 5.08 -0.54 0.12 114.58 121.23 1cey h GLU 118 Ca -0.04 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.06 1cey h GLU 118 Cb 0.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1cey h GLU 118 CO 0.06 0.00 -1.35 0.87 -1.00 0.00 0.00 179.01 177.59 1cey h LYS 119 N 0.00 0.21 -0.71 2.33 1.57 -0.93 -3.03 116.57 116.00 1cey h LYS 119 Ca 0.39 -0.35 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1cey h LYS 119 Cb 2.18 0.13 -0.04 0.00 0.08 0.00 0.00 32.23 34.58 1cey h LYS 119 CO -0.00 1.17 0.45 1.25 -0.57 0.00 0.00 179.45 181.75 1cey h LEU 120 N -0.40 0.76 -0.65 2.94 6.46 0.19 -1.91 115.31 122.70 1cey h LEU 120 Ca -0.30 -0.01 -0.07 0.00 -0.12 0.00 0.00 57.88 57.38 1cey h LEU 120 Cb 1.69 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 41.42 1cey h LEU 120 CO 0.03 0.53 0.14 -1.13 -0.62 0.00 0.00 178.44 177.39 1cey h ASN 121 N 0.90 1.00 -0.46 1.25 -1.24 -1.44 0.11 115.58 115.70 1cey h ASN 121 Ca 0.28 -0.24 0.10 0.00 0.71 0.00 0.00 56.30 57.14 1cey h ASN 121 Cb -0.03 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 38.74 1cey h ASN 121 CO -0.09 0.98 0.32 0.50 -1.29 0.00 0.00 177.43 177.85 1cey h LYS 122 N 0.97 0.19 0.08 6.67 3.64 -1.24 -0.29 116.57 126.58 1cey h LYS 122 Ca 0.20 -0.01 -0.22 0.00 -1.27 0.00 0.00 60.65 59.34 1cey h LYS 122 Cb 0.39 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1cey h LYS 122 CO 0.01 0.13 -1.16 0.82 -2.27 0.00 0.00 179.45 176.98 1cey h ILE 123 N 0.20 1.14 0.00 2.00 2.04 -0.78 -3.27 117.51 118.83 1cey h ILE 123 Ca 0.21 -2.35 0.00 0.00 1.00 0.00 0.00 64.86 63.72 1cey h ILE 123 Cb 0.59 2.73 0.00 0.00 -0.74 0.00 0.00 36.82 39.40 1cey h ILE 123 CO -0.04 0.61 0.00 0.49 0.00 0.00 0.00 178.15 179.22 1cey n PHE 124 N -4.13 0.00 0.11 1.37 3.01 0.32 -1.49 117.46 116.65 1cey n PHE 124 Ca -0.24 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.25 1cey n PHE 124 Cb 0.79 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.26 1cey n PHE 124 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1cey h GLU 125 N 0.01 0.00 0.00 -1.08 4.81 -1.12 -1.32 114.58 115.88 1cey h GLU 125 Ca 0.00 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.89 1cey h GLU 125 Cb 0.00 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.32 1cey h GLU 125 CO 0.00 0.39 -2.14 1.17 -0.73 0.00 0.00 179.01 177.70 1cey n LYS 126 N -3.10 0.67 0.19 1.92 4.81 -0.56 -3.98 118.16 118.11 1cey n LYS 126 Ca -0.01 0.12 0.06 0.00 -0.87 0.00 0.00 58.31 57.60 1cey n LYS 126 Cb 0.74 -1.62 0.33 0.00 0.02 0.00 0.00 35.03 34.50 1cey n LYS 126 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1cey h LEU 127 N 0.00 0.00 -2.90 3.14 7.12 -1.57 -3.48 115.31 117.62 1cey h LEU 127 Ca -0.45 0.00 -0.03 0.00 0.13 0.00 0.00 57.88 57.53 1cey h LEU 127 Cb 2.14 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 42.27 1cey h LEU 127 CO 0.04 0.37 -0.99 0.61 -0.13 0.00 0.00 178.44 178.34 1cey n GLY 128 N 0.25 -1.57 0.92 3.75 0.00 -0.50 -5.06 105.19 102.96 1cey n GLY 128 Ca -0.00 0.29 0.12 0.00 0.00 0.00 0.00 46.02 46.43 1cey n GLY 128 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47